General Information of the Compound
Compound ID
CP0104446
Compound Name
N-cyclohexyl-5-propyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C13H20N2O2
Molecular Weight
236.315
Canonical SMILES
CCCc1cc(no1)C(=O)NC1CCCCC1
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InChI
InChI=1S/C13H20N2O2/c1-2-6-11-9-12(15-17-11)13(16)14-10-7-4-3-5-8-10/h9-10H,2-8H2,1H3,(H,14,16)
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InChIKey
UWYFUCDLJDTNBA-UHFFFAOYSA-N
Physicochemical Property
logP
2.6896
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5307570
ChEMBL ID
CHEMBL1478485
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 50000 nM
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